0 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,0,0,0,0,0|2,1,1]=4 1 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,0,0,0,0,0|2,1,1]=4 2 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,0,0,0,0,0|2,1,1]=4 3 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,0,0,0,0,0|2,1,1]=4 4 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,0,0,0,0,0|2,1,1]=4 5 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,0,0,0,0,0|2,1,1]=4 6 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,0,0,0|3,0,1]=4 16 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,0,0,0|2,0,1]=4 17 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,0,0,0|2,0,1]=4 18 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [1,0,0,0,0,0|1,1,1]=4 19 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [1,0,0,0,0,0|1,1,1]=4 20 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,0,0,0|2,0,1]=4 21 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,0,0,0|2,0,1]=4 22 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [1,0,0,0,0,0|1,1,1]=4 23 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [1,0,0,0,0,0|1,1,1]=4 24 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,0,0,0|1,0,0]=2 30 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,0,0,0|1,0,0]=2 31 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,0,0,0|1,0,0]=2 32 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [0,1,0,0,0,0|2,0,1]=4 33 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,0,1,0,0,0|3,0,0]=4 54 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,0,1,0,0,0|3,0,0]=4 55 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,0,1,0,0,0|3,0,0]=4 56 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,0,1,0,0,0|3,0,0]=4 57 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,1,0,0,0|2,0,1]=4 58 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,1,0,0,0|2,0,1]=4 59 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,1,0,0,0|2,0,1]=4 60 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,1,0,0,0|3,0,0]=4 61 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,1,0,0,0|3,0,0]=4 62 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,1,0,0,0|3,0,0]=4 63 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,1,0,0,0|3,0,0]=4 64 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,1,0,0,0|2,0,0]=3 65 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,1,0,0,0|2,0,0]=3 66 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,1,0,0,0|2,0,0]=3 67 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,1,0,0,0|2,0,0]=3 68 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,0,1,0,0,0|2,0,1]=4 69 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,0,1,0,0,0|2,0,1]=4 70 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,0,1,0,0,0|2,0,1]=4 71 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,0,1,0,0,0|2,0,1]=4 72 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,0,1,0,0,0|2,0,1]=4 73 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,0,1,0,0,0|2,0,1]=4 74 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,0,1,0,0,0|2,0,1]=4 75 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,0,1,0,0,0|2,0,1]=4 76 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,1,0,0,0|3,0,0]=4 77 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,1,0,0,0|3,0,0]=4 78 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,1,0,0,0|3,0,0]=4 79 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,1,0,0,0|3,0,0]=4 80 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,1,0,0,0|3,0,0]=4 81 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,1,0,0,0|2,0,0]=3 82 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,1,0,0,0|2,0,0]=3 83 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,1,0,0,0|2,0,0]=3 84 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,1,0,0,0|2,0,0]=3 85 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,1,0,0,0|2,0,0]=3 86 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,1,0,0,0|2,0,0]=3 87 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,0,1,0,0,0|2,0,1]=4 88 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,0,1,0,0,0|2,0,1]=4 89 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,0,1,0,0,0|3,0,0]=4 90 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,0,1,0,0,0|3,0,0]=4 91 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,0,1,0,0,0|3,0,0]=4 92 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,0,1,0,0,0|3,0,0]=4 93 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,0,1,0,0,0|3,0,0]=4 94 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,0,1,0,0,0|3,0,0]=4 95 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,0,1,0,0,0|3,0,0]=4 96 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,0,1,0,0,0|3,0,0]=4 97 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,0,1,0,0,0|3,0,0]=4 98 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,0,1,0,0,0|3,0,0]=4 99 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,0,1,0,0,0|3,0,0]=4 100 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,0,1,0,0,0|3,0,0]=4 101 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,0,1,0,0,0|3,0,0]=4 102 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,0,1,0,0,0|3,0,0]=4 103 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,0,1,0,0,0|3,0,0]=4 104 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,0,1,0,0,0|3,0,0]=4 105 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,0,1,0,0,0|3,0,0]=4 106 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,0,1,0,0,0|3,0,0]=4 107 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,0,1,0,0,0|3,0,0]=4 108 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,0,1,0,0,0|3,0,0]=4 109 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,0,1,0,0,0|3,0,0]=4 110 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,0,1,0,0,0|3,0,0]=4 111 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,0,1,0,0,0|3,0,0]=4 112 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,0,1,0,0,0|3,0,0]=4 113 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,1,0,0,0|3,0,0]=4 114 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,1,0,0,0|3,0,0]=4 115 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,1,0,0,0|3,0,0]=4 116 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,0,1,0,0,0|2,0,1]=4 117 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,0,1,0,0,0|2,0,1]=4 118 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,0,1,0,0,0|3,0,0]=4 119 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,0,1,0,0,0|3,0,0]=4 120 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,0,1,0,0,0|3,0,0]=4 121 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,0,1,0,0,0|2,0,0]=3 122 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,0,1,0,0,0|2,0,0]=3 123 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,0,1,0,0,0|2,0,0]=3 124 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,0,1,0,0,0|2,0,0]=3 125 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,0,1,0,0,0|3,0,0]=4 126 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,0,1,0,0,0|3,0,0]=4 127 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,1,0,0,0|3,0,0]=4 128 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,1,0,0,0|3,0,0]=4 129 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,1,0,0,0|3,0,0]=4 130 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,1,0,0,0|3,0,0]=4 131 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,1,0,0,0|3,0,0]=4 132 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,1,0,0,0|2,0,0]=3 133 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,1,0,0,0|2,0,0]=3 134 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,1,0,0,0|2,0,0]=3 135 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,1,0,0,0|2,0,0]=3 136 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,0,1,0,0,0|3,0,0]=4 137 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,0,1,0,0,0|3,0,0]=4 138 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,1,0,0,0|3,0,0]=4 139 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,0,1,0,0,0|3,0,0]=4 140 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,1,0,0,0|3,0,0]=4 141 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,0,1,0,0,0|3,0,0]=4 142 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,0,1,0,0,0|3,0,0]=4 143 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,0,1,0,0,0|3,0,0]=4 144 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,0,1,0,0,0|3,0,0]=4 145 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,0,1,0,0,0|3,0,0]=4 146 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,0,1,0,0,0|3,0,0]=4 147 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,0,1,0,0,0|3,0,0]=4 148 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,0,1,0,0,0|3,0,0]=4 149 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,0,1,0,0,0|2,0,0]=3 150 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,0,1,0,0,0|3,0,0]=4 151 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,0,1,0,0,0|3,0,0]=4 152 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,0,1,0,0,0|3,0,0]=4 153 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,1,0,0,0|3,0,0]=4 154 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,0,1,0,0,0|2,0,1]=4 155 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,1,0,0,0|3,0,0]=4 156 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,0,1,0,0,0|3,0,0]=4 157 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,0,1,0,0,0|3,0,0]=4 158 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,0,1,0,0,0|3,0,0]=4 159 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,0,1,0,0,0|3,0,0]=4 160 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,0,1,0,0,0|3,0,0]=4 161 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,0,1,0,0,0|3,0,0]=4 162 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,0,1,0,0,0|3,0,0]=4 163 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [0,0,1,0,0,0|2,0,0]=3 164 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [0,0,1,0,0,0|2,0,0]=3 165 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [0,0,1,0,0,0|2,0,0]=3 166 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [0,0,1,0,0,0|3,0,0]=4 167 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [0,0,1,0,0,0|3,0,0]=4 168 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [0,0,1,0,0,0|3,0,0]=4 169 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,0,1,0,0,0|3,0,0]=4 170 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,0,1,0,0,0|3,0,0]=4 171 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,0,1,0,0,0|3,0,0]=4 172 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,0,1,0,0,0|3,0,0]=4 173 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,0,1,0,0,0|2,0,1]=4 174 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,0,1,0,0,0|2,0,1]=4 175 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,0,1,0,0,0|2,0,1]=4 176 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,0,1,0,0,0|2,0,1]=4 177 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,0,1,0,0,0|2,0,1]=4 178 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,0,1,0,0,0|2,0,1]=4 179 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,0,1,0,0,0|2,0,1]=4 180 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,0,1,0,0,0|2,0,1]=4 181 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,0,1,0,0,0|2,0,1]=4 182 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,0,1,0,0,0|2,0,0]=3 183 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,0,1,0,0,0|2,0,0]=3 184 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,0,1,0,0,0|3,0,0]=4 185 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,0,1,0,0,0|3,0,0]=4 186 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,0,1,0,0,0|2,0,1]=4 187 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,0,1,0,0,0|3,0,0]=4 188 B6R0.6 NOCCOCF 34a_100000700252_100015361967 [0,0,1,0,0,0|2,0,1]=4 189 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,0,1,0,0,0|3,0,0]=4 190 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,0,1,0,0,0|3,0,0]=4 191 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,0,1,0|2,0,1]=4 192 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,0,1,0|2,0,1]=4 193 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,0,1,0|2,0,1]=4 194 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,0,1,0|2,0,1]=4 195 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,0,0,1|3,0,0]=4 196 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,0,0,1|3,0,0]=4 197 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,0,0,1|3,0,0]=4 198 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,0,0,1|3,0,0]=4 199 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,0,0,1|3,0,0]=4 200 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,0,0,1|3,0,0]=4 201 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,0,0,0,0,1|2,0,1]=4 202 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,0,0,0,0,1|2,0,1]=4 203 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,0,0,0,0,1|2,0,1]=4 204 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,0,0,0,0,1|2,0,1]=4 205 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,0,0,0,0,1|2,0,1]=4 206 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,0,0,0,0,1|2,0,1]=4 207 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,0,0,1|2,0,0]=3 208 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,0,0,1|1,0,0]=2 209 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,0,0,0,0,1|1,0,2]=4 210 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,0,0,0,0,1|1,0,2]=4 211 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,0,0,1|2,0,0]=3 212 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,0,0,1|1,0,0]=2 213 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,0,0,0,0,1|1,0,2]=4 214 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,0,0,0,0,1|1,0,2]=4 215 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [0,0,0,0,0,1|2,0,1]=4 216 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [0,0,0,0,0,1|2,0,1]=4 217 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [0,0,0,0,0,1|2,0,1]=4 218 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [0,0,0,0,0,1|2,0,1]=4 219 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [0,0,0,0,0,1|2,0,1]=4 220 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [0,0,0,0,0,1|2,0,1]=4 221 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,1,0,0,0|2,0,0]=4 222 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,1,0,0,0|2,0,0]=4 223 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,1,0,0,0|2,0,0]=4 224 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,1,0,0,0|2,0,0]=4 225 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,1,0,0,0|2,0,0]=4 226 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,1,0,0,0|1,0,0]=3 227 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,1,0,0,0|1,0,0]=3 228 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,1,0,0,0|1,0,0]=3 229 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,0,1,0,0,0|1,0,1]=4 230 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,0,1,0,0,0|1,0,1]=4 231 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,0,1,0,0,0|1,0,1]=4 232 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,0,1,0,0,0|1,0,1]=4 233 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,0,1,0,0,0|1,0,1]=4 234 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,0,1,0,0,0|1,0,1]=4 235 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,1,0,0,0|2,0,0]=4 236 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,1,0,0,0|2,0,0]=4 237 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,1,0,0,0|2,0,0]=4 238 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,1,0,0,0|2,0,0]=4 239 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,1,0,0,0|2,0,0]=4 240 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,1,0,0,0|2,0,0]=4 241 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,1,0,0,0|2,0,0]=4 242 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,1,0,0,0|1,0,1]=4 243 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,1,0,0,0|1,0,1]=4 244 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,1,0,0,0|1,0,1]=4 245 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,1,0,0,0|2,0,0]=4 246 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,1,0,0,0|2,0,0]=4 247 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,1,0,0,0|1,0,1]=4 248 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,1,0,0,0|2,0,0]=4 249 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,1,0,0,0|2,0,0]=4 250 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,1,0,0,0|2,0,0]=4 251 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,1,0,0,0|2,0,0]=4 252 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,1,0,0,0|2,0,0]=4 253 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,1,0,0,0|2,0,0]=4 254 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,1,0,0,0|2,0,0]=4 255 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,1,0,0,0|2,0,0]=4 256 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,1,0,0,0|2,0,0]=4 257 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,1,0,0,0|2,0,0]=4 258 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,1,0,0,0|1,0,1]=4 259 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,1,0,0,0|1,0,1]=4 260 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,1,0,0,0|1,0,1]=4 261 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,1,0,0,0|1,0,1]=4 262 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,1,0,0,0|1,0,1]=4 263 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,1,0,0,0|1,0,1]=4 264 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,1,0,0,0|1,0,1]=4 265 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,1,0,0,0|1,0,1]=4 266 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,1,0,0,0|1,0,1]=4 267 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,1,0,0,0|1,0,1]=4 268 B5R0.2 COCCON 34a_100000700252_200000210301 [1,0,1,0,0,0|1,0,1]=4 269 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,0,1,0,0,0|1,0,1]=4 270 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,0,1,0,0,0|1,0,1]=4 271 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,1,0,0,0|1,0,1]=4 272 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,0,1,0,0,0|1,0,1]=4 273 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,1,0,0,0|2,0,0]=4 274 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|2,0,0]=4 275 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,1,0,0,0|1,0,1]=4 276 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,1,0,0,0|1,0,1]=4 277 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,1,0,0,0|2,0,0]=4 278 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,1,0,0,0|2,0,0]=4 279 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,1,0,0,0|2,0,0]=4 280 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,1,0,0,0|1,0,0]=3 281 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 282 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 283 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 284 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,1,0,0,0|2,0,0]=4 285 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,1,0,0,0|2,0,0]=4 286 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,1,0,0,0|1,0,0]=3 287 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,1,0,0,0|1,0,0]=3 288 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,1,0,0,0|1,0,0]=3 289 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,1,0,0,0|2,0,0]=4 290 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,1,0,0,0|2,0,0]=4 291 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,1,0,0,0|2,0,0]=4 292 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,1,0,0,0|2,0,0]=4 293 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,1,0,0,0|2,0,0]=4 294 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,1,0,0,0|1,0,0]=3 295 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,1,0,0,0|1,0,0]=3 296 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,1,0,0,0|1,0,0]=3 297 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,1,0,0,0|1,0,0]=3 298 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,1,0,0,0|2,0,0]=4 299 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,1,0,0,0|2,0,0]=4 300 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,1,0,0,0|2,0,0]=4 301 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,1,0,0,0|2,0,0]=4 302 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,1,0,0,0|2,0,0]=4 303 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,1,0,0,0|2,0,0]=4 304 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,1,0,0,0|2,0,0]=4 305 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,1,0,0,0|2,0,0]=4 306 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,1,0,0,0|2,0,0]=4 307 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,1,0,0,0|2,0,0]=4 308 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,1,0,0,0|2,0,0]=4 309 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,1,0,0,0|2,0,0]=4 310 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,1,0,0,0|2,0,0]=4 311 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,1,0,0,0|2,0,0]=4 312 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,1,0,0,0|2,0,0]=4 313 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,1,0,0,0|2,0,0]=4 314 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,1,1,0,0,0|2,0,0]=4 315 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,1,1,0,0,0|2,0,0]=4 316 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,1,1,0,0,0|2,0,0]=4 317 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,1,0,0,0|2,0,0]=4 318 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,1,0,0,0|2,0,0]=4 319 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,1,0,0,0|2,0,0]=4 320 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,1,0,0,0|2,0,0]=4 321 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,1,1,0,0,0|2,0,0]=4 322 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,1,1,0,0,0|2,0,0]=4 323 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,1,1,0,0,0|2,0,0]=4 324 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,1,1,0,0,0|2,0,0]=4 325 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,1,1,0,0,0|2,0,0]=4 326 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,1,1,0,0,0|2,0,0]=4 327 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,1,1,0,0,0|2,0,0]=4 328 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,1,1,0,0,0|2,0,0]=4 329 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,1,1,0,0,0|2,0,0]=4 330 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,1,1,0,0,0|2,0,0]=4 331 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,1,1,0,0,0|2,0,0]=4 332 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,1,0,0,0|2,0,0]=4 333 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,1,0,0,0|2,0,0]=4 334 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,1,1,0,0,0|2,0,0]=4 335 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,1,1,0,0,0|1,0,0]=3 336 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,1,1,0,0,0|1,0,0]=3 337 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,1,1,0,0,0|1,0,0]=3 338 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,1,1,0,0,0|1,0,0]=3 339 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,1,1,0,0,0|1,0,0]=3 340 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,1,1,0,0,0|1,0,0]=3 341 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,1,1,0,0,0|2,0,0]=4 342 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,1,1,0,0,0|1,1,0]=4 343 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,1,1,0,0,0|1,1,0]=4 344 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,1,1,0,0,0|1,1,0]=4 345 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,1,1,0,0,0|1,1,0]=4 346 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,1,1,0,0,0|1,1,0]=4 347 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,1,1,0,0,0|1,1,0]=4 348 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,1,1,0,0,0|2,0,0]=4 349 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,1,1,0,0,0|2,0,0]=4 350 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,1,1,0,0,0|2,0,0]=4 351 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,1,1,0,0,0|2,0,0]=4 352 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,1,1,0,0,0|2,0,0]=4 353 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,1,1,0,0,0|2,0,0]=4 354 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,1,1,0,0,0|2,0,0]=4 355 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,1,1,0,0,0|2,0,0]=4 356 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,1,1,0,0,0|2,0,0]=4 357 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,1,0,0,0|2,0,0]=4 358 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,1,0,0,0|2,0,0]=4 359 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,1,0,0,0|2,0,0]=4 360 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,1,0,0,0|2,0,0]=4 361 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,1,0,0,0|2,0,0]=4 362 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,1,0,0,0|2,0,0]=4 363 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,1,0,0,0|2,0,0]=4 364 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,1,0,0,0|2,0,0]=4 365 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,1,1,0,0,0|2,0,0]=4 366 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,1,1,0,0,0|2,0,0]=4 367 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,1,1,0,0,0|2,0,0]=4 368 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,1,1,0,0,0|2,0,0]=4 369 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,1,1,0,0,0|2,0,0]=4 370 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,1,1,0,0,0|2,0,0]=4 371 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,1,1,0,0,0|2,0,0]=4 372 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,1,1,0,0,0|2,0,0]=4 373 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,1,1,0,0,0|2,0,0]=4 374 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,1,1,0,0,0|2,0,0]=4 375 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,1,1,0,0,0|2,0,0]=4 376 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,1,1,0,0,0|2,0,0]=4 377 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,1,1,0,0,0|2,0,0]=4 378 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,1,1,0,0,0|2,0,0]=4 379 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,1,1,0,0,0|2,0,0]=4 380 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,1,1,0,0,0|2,0,0]=4 381 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,1,0,0,0|2,0,0]=4 382 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,1,1,0,0,0|1,0,0]=3 383 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,1,1,0,0,0|1,0,0]=3 384 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,1,1,0,0,0|2,0,0]=4 385 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,1,1,0,0,0|2,0,0]=4 386 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,1,1,0,0,0|2,0,0]=4 387 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,1,1,0,0,0|2,0,0]=4 388 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,1,1,0,0,0|2,0,0]=4 389 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,1,1,0,0,0|2,0,0]=4 390 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,1,1,0,0,0|2,0,0]=4 391 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,1,1,0,0,0|2,0,0]=4 392 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,1,0,0,0|2,0,0]=4 393 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,1,1,0,0,0|2,0,0]=4 394 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,1,1,0,0,0|2,0,0]=4 395 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,1,1,0,0,0|2,0,0]=4 396 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,1,1,0,0,0|2,0,0]=4 397 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,1,1,0,0,0|2,0,0]=4 398 B7R0.7 CC#CC(=O)NNC 22a_100016993582_100000763181 [0,1,1,0,0,0|1,0,1]=4 399 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,1,1,0,0,0|1,0,1]=4 400 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,1,0,0,0|2,0,0]=4 401 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,1,0,0,0|2,0,0]=4 402 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,1,0,0,0|2,0,0]=4 403 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,1,0,0,0|2,0,0]=4 404 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,1,0,0,0|2,0,0]=4 405 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,1,1,0,0,0|1,0,0]=3 406 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,1,1,0,0,0|2,0,0]=4 407 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,1,1,0,0,0|2,0,0]=4 408 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,1,0,0,0|2,0,0]=4 409 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,1,0,0,0|2,0,0]=4 410 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,1,0,0,0|2,0,0]=4 411 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,1,0,0,0|2,0,0]=4 412 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,1,0,0,0|2,0,0]=4 413 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,1,1,0,0,0|2,0,0]=4 414 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,1,1,0,0,0|2,0,0]=4 415 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,1,1,0,0,0|2,0,0]=4 416 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,1,1,0,0,0|1,0,0]=3 417 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,1,1,0,0,0|1,0,0]=3 418 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,1,1,0,0,0|1,0,0]=3 419 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,1,1,0,0,0|1,0,0]=3 420 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,1,1,0,0,0|1,0,0]=3 421 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,1,1,0,0,0|1,0,0]=3 422 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,1,0,0,0|2,0,0]=4 423 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,1,1,0,0,0|2,0,0]=4 424 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,1,1,0,0,0|2,0,0]=4 425 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,1,1,0,0,0|2,0,0]=4 426 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,1,1,0,0,0|2,0,0]=4 427 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,1,1,0,0,0|1,0,0]=3 428 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,1,1,0,0,0|1,0,0]=3 429 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,1,1,0,0,0|2,0,0]=4 430 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,1,1,0,0,0|2,0,0]=4 431 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,1,1,0,0,0|2,0,0]=4 432 B7R0.7 CNNC(=O)NNC 512a_100016993582_100016993582 [0,1,1,0,0,0|2,0,0]=4 433 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [0,1,1,0,0,0|2,0,0]=4 434 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,1,0,0,0|2,0,0]=4 435 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,1,0,0,0|2,0,0]=4 436 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,1,0,0,0|2,0,0]=4 437 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,1,0,0,0|2,0,0]=4 438 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,1,0,0,0|2,0,0]=4 439 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,1,0,0,0|2,0,0]=4 440 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,1,0,0,0|2,0,0]=4 441 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,1,0,0,0|2,0,0]=4 442 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [0,1,1,0,0,0|2,0,0]=4 443 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,1,1,0,0,0|2,0,0]=4 444 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,1,1,0,0,0|2,0,0]=4 445 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,1,1,0,0,0|2,0,0]=4 446 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,1,1,0,0,0|2,0,0]=4 447 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,1,1,0,0,0|2,0,0]=4 448 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,1,1,0,0,0|2,0,0]=4 449 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,1,1,0,0,0|2,0,0]=4 450 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,1,1,0,0,0|2,0,0]=4 451 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,1,1,0,0,0|2,0,0]=4 452 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,1,1,0,0,0|2,0,0]=4 453 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,1,1,0,0,0|2,0,0]=4 454 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,1,0,0,0|1,0,0]=3 455 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,1,0,0,0|1,0,0]=3 456 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,1,0,0,0|2,0,0]=4 457 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,1,0,0,0|2,0,0]=4 458 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,1,1,0,0,0|2,0,0]=4 459 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,1,1,0,0,0|2,0,0]=4 460 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,1,0,0,0|2,0,0]=4 461 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,1,0,0,0|2,0,0]=4 462 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,1,0,0,0|2,0,0]=4 463 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,1,0,0,0|2,0,0]=4 464 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,1,0,0,0|2,0,0]=4 465 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,1,1,0,0,0|2,0,0]=4 466 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,1,1,0,0,0|2,0,0]=4 467 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,1,1,0,0,0|2,0,0]=4 468 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,1,1,0,0,0|2,0,0]=4 469 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [0,1,1,0,0,0|2,0,0]=4 470 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [0,1,1,0,0,0|2,0,0]=4 471 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [0,1,1,0,0,0|2,0,0]=4 472 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [0,1,1,0,0,0|2,0,0]=4 473 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,1,0,0,0|2,0,0]=4 474 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,1,1,0,0,0|2,0,0]=4 475 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,1,1,0,0,0|2,0,0]=4 476 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,1,1,0,0,0|2,0,0]=4 477 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [0,1,1,0,0,0|2,0,0]=4 478 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,1,1,0,0,0|2,0,0]=4 479 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,1,1,0,0,0|2,0,0]=4 480 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [0,1,1,0,0,0|2,0,0]=4 481 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [0,1,1,0,0,0|2,0,0]=4 482 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [0,1,1,0,0,0|2,0,0]=4 483 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [0,1,1,0,0,0|2,0,0]=4 484 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [0,1,1,0,0,0|2,0,0]=4 485 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,1,1,0,0,0|2,0,0]=4 486 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,1,1,0,0,0|2,0,0]=4 487 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,1,1,0,0,0|2,0,0]=4 488 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,1,1,0,0,0|2,0,0]=4 489 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,1,1,0,0,0|2,0,0]=4 490 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,1,1,0,0,0|2,0,0]=4 491 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,1,1,0,0,0|2,0,0]=4 492 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,1,1,0,0,0|2,0,0]=4 493 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,1,1,0,0,0|2,0,0]=4 494 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,1,1,0,0,0|1,0,0]=3 495 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [0,1,1,0,0,0|1,0,0]=3 496 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [0,1,1,0,0,0|2,0,0]=4 497 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,1,1,0,0,0|2,0,0]=4 498 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [0,1,1,0,0,0|2,0,0]=4 499 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,1,1,0,0,0|2,0,0]=4 500 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,1,1,0,0,0|2,0,0]=4 501 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,1,1,0,0,0|2,0,0]=4 502 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,1,1,0,0,0|2,0,0]=4 503 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,1,1,0,0,0|2,0,0]=4 504 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,1,1,0,0,0|2,0,0]=4 505 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,1,1,0,0,0|2,0,0]=4 506 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,1,0,0,0|2,0,0]=4 507 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,1,0,0,0|2,0,0]=4 508 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,1,1,0,0,0|2,0,0]=4 509 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,1,1,0,0,0|2,0,0]=4 510 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,1,1,0,0,0|2,0,0]=4 511 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,1,1,0,0,0|2,0,0]=4 512 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,1,1,0,0,0|2,0,0]=4 513 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,1,1,0,0,0|2,0,0]=4 514 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,1,1,0,0,0|2,0,0]=4 515 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,1,1,0,0,0|2,0,0]=4 516 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,1,1,0,0,0|2,0,0]=4 517 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,1,1,0,0,0|1,0,0]=3 518 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,1,1,0,0,0|1,0,0]=3 519 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,1,1,0,0,0|1,0,0]=3 520 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,1,1,0,0,0|1,0,0]=3 521 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,1,1,0,0,0|2,0,0]=4 522 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,1,1,0,0,0|2,0,0]=4 523 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,1,1,0,0,0|2,0,0]=4 524 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,1,1,0,0,0|2,0,0]=4 525 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,1,1,0,0,0|2,0,0]=4 526 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,1,1,0,0,0|2,0,0]=4 527 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,1,1,0,0,0|2,0,0]=4 528 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,1,1,0,0,0|2,0,0]=4 529 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,1,1,0,0,0|2,0,0]=4 530 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,1,1,0,0,0|2,0,0]=4 531 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,1,1,0,0,0|2,0,0]=4 532 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,1,1,0,0,0|2,0,0]=4 533 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [1,1,0,0,0,0|1,0,1]=4 534 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [1,1,0,0,0,0|1,0,1]=4 535 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [1,1,0,0,0,0|1,0,1]=4 536 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [1,1,0,0,0,0|1,0,1]=4 537 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [1,1,0,0,0,0|1,0,1]=4 538 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [1,1,0,0,0,0|1,0,1]=4 539 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [1,1,0,0,0,0|1,0,1]=4 540 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [1,1,0,0,0,0|1,0,1]=4 541 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [1,1,0,0,0,0|1,0,1]=4 542 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [1,1,0,0,0,0|1,0,1]=4 543 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,1,0,0,0,0|2,0,0]=4 544 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,1,0,0,0,0|2,0,0]=4 545 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,0,1,0|1,0,0]=3 546 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,0,1,0|1,0,0]=3 547 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,0,1,0|2,0,0]=4 548 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,0,1,0|2,0,0]=4 549 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,0,1,0|2,0,0]=4 550 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,0,1,0|2,0,0]=4 551 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,0,1,0|2,0,0]=4 552 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,0,0,1|1,0,0]=3 554 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,0,0,1|2,0,0]=4 562 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,1,0,0,0,1|2,0,0]=4 566 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,2,0,0,0,0|1,0,0]=3 582 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,2,0,0,0,0|1,0,0]=3 583 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,2,0,0,0,0|1,0,0]=3 584 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,2,0,0,0,0|2,0,0]=4 586 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,2,0,0,0,0|2,0,0]=4 587 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,2,0,0,0,0|1,0,1]=4 588 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,2,0,0,0,0|2,0,0]=4 591 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,2,0,0,0,0|1,0,0]=3 592 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,2,0,0,0,0|2,0,0]=4 593 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,2,0,0,0,0|2,0,0]=4 594 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,2,0,0,0,0|2,0,0]=4 595 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [0,2,0,0,0,0|2,0,0]=4 596 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.33 O=C1NCCC1NCF 34a_100016995588_100015361967 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [0,2,0,0,0,0|2,0,0]=4 601 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [0,2,0,0,0,0|2,0,0]=4 602 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,2,0,0,0,0|2,0,0]=4 603 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [0,2,0,0,0,0|2,0,0]=4 604 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [0,2,0,0,0,0|2,0,0]=4 605 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,2,0,0,0,0|1,0,0]=3 606 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,2,0,0,0,0|1,0,0]=3 607 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_100000755940_200025704644 [0,2,0,0,0,0|2,0,0]=4 608 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_200025704644_100000755940 [0,2,0,0,0,0|2,0,0]=4 609 B9R1.132 CNC1CCN(C1=O)C 2230a_106832991635_100000755940 [0,2,0,0,0,0|2,0,0]=4 610 B9R1.132 CNC1CCN(C1=O)C 34a_100102657272_100000755940 [0,2,0,0,0,0|2,0,0]=4 611 B9R1.132 CNC1CCN(C1=O)C 7a_106832991635_100000755940 [0,2,0,0,0,0|2,0,0]=4 612 B9R1.132 COC1CCN(C1=O)C 34a_100138415774_100000755940 [0,2,0,0,0,0|2,0,0]=4 613 B9R1.132 CSC1CCN(C1=O)C 62a_100000755940_200000210301 [0,2,0,0,0,0|2,0,0]=4 614 B9R1.132 CSC1CCN(C1=O)C 62a_200000210301_100000755940 [0,2,0,0,0,0|2,0,0]=4 615 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [0,2,0,0,0,0|2,0,0]=4 619 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,1,1,0,0|2,0,0]=4 620 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,1,1,0,0|2,0,0]=4 621 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,1,1,0,0|2,0,0]=4 622 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,1,1,0,0|2,0,0]=4 623 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,1,1,0,0|2,0,0]=4 624 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,1,1,0,0|2,0,0]=4 625 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,1,1,0,0|2,0,0]=4 626 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,0,1,0|1,0,1]=4 627 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,0,1,0|1,0,1]=4 628 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,0,0,2|2,0,0]=4 629 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,0,0,2|2,0,0]=4 630 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,0,0,2|2,0,0]=4 631 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,0,0,2|2,0,0]=4 632 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,0,0,2|2,0,0]=4 633 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,0,0,2|2,0,0]=4